| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:29 UTC |
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| Update Date | 2025-03-25 00:48:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165882 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O8 |
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| Molecular Mass | 364.1158 |
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| SMILES | CC1C(Oc2coc3cc(O)cc(O)c3c2=O)OC(C(=O)O)C(C)C1C |
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| InChI Key | NBTRSUUJAATKQL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | chromones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidspyranones and derivativesvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativepyran carboxylic acidorganic oxideacetalchromonearomatic heteropolycyclic compoundpyranoneoxanepyran carboxylic acid or derivativesheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyranhydrocarbon derivativebenzenoidorganooxygen compound |
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